PCIDB

KNApSAcK Metabolite C00046973

Metabolite

KNApSAcK Entry

id C00046973
Name Watterose J / (-)-Watterose J
CAS RN 291767-06-1
Standard InChI InChI=1S/C51H60O29/c1-22(54)70-19-32-37(62)41(66)43(68)49(74-32)76-44-38(63)33(20-71-34(59)13-9-23-7-11-26(55)28(57)15-23)75-50(45(44)77-48-42(67)40(65)36(61)30(17-52)73-48)80-51(21-72-35(60)14-10-24-8-12-27(56)29(58)16-24)46(39(64)31(18-53)79-51)78-47(69)25-5-3-2-4-6-25/h2-16,30-33,36-46,48-50,52-53,55-58,61-68H,17-21H2,1H3/b13-9+,14-10+/t30-,31-,32-,33-,36-,37-,38-,39-,40+,41+,42-,43-,44?,45-,46+,48+,49+,50-,51+/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H60O29/c1-22(54)70-19-32-37(62)41(66)43(68)49(74-32)76-44-38(63)33(20-71-34(59)13-9-23-7-11-26(55)28(57)15-23)75-50(45(44)77-48-42(67)40(65)36(61)30(17-52)73-48)80-51(21-72-35(60)14-10-24-8-12-27(56)29(58)16-24)46(39(64)31(18-53)79-51)78-47(69)25-5-3-2-4-6-25/h2-16,30-33,36-46,48-50,52-53,55-58,61-68H,17-21H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 181

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Polygala wattersii 4275 Polygalaceae rosids Viridiplantae